SCHEMBL295543

SCHEMBL295543

CC(CO)CC(C)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 1.00
TAAR1 Q96RJ0 3/20 0.50
AOC3 Q16853 2/20 0.45
RIPK1 Q13546 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL10395902 0.92 TRPA1 (0.85) TRPA1TAAR1AOC3RIPK1
Phthalic Acid SCHEMBL10807323 0.88 TRPA1 (0.77) TRPA1TAAR1RIPK1KDM4EALDH1A1
SCHEMBL8205609 0.83 TRPA1 (0.70) TRPA1LMNA
SCHEMBL16702621 0.83 TRPA1 (1.00) TRPA1TAAR1AOC3RIPK1KDM4E
Cis-3-Hexenol SCHEMBL6335235 0.82 TRPA1 (0.68) TRPA1TAAR1AOC3RIPK1ALDH1A1
SCHEMBL8207850 0.82 TRPA1 (0.69) TRPA1KDM4EALDH1A1
Cis-3-Hexenol SCHEMBL6335239 0.82 TRPA1 (0.68) TRPA1TAAR1AOC3RIPK1ALDH1A1
SCHEMBL61000 0.81 TRPA1 (0.68) TRPA1TAAR1AOC3RIPK1KDM4E
SCHEMBL1260 0.81 TRPA1 (0.68) TRPA1TAAR1AOC3RIPK1KDM4E
SCHEMBL60429 0.81 TRPA1 (0.68) TRPA1TAAR1AOC3RIPK1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 518 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50800-E1 Pro-fragrance compounds FIRMENICH SA (CH) 2026-02-17 US claimed
US-12509482-B2 3′-ketoglycoside compound for the slow release of a volatile alcohol GLYCOSCIENCE, S.L. (ES) 2025-12-30 US claimed
EP-4604726-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH Ecolab USA Inc. (US) 2025-08-27 EP claimed
CN-115427421-B 3' -Ketoglycoside compounds for slow release of volatile alcohols 格莱克科学有限公司 2025-04-01 CN claimed
US-20240147994-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH ECOLAB USA INC. 2024-05-09 US claimed
WO-2024086642-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH ECOLAB USA INC. (US) 2024-04-25 WO claimed
US-20230183284-A1 3'-KETOGLYCOSIDE COMPOUND FOR THE SLOW RELEASE OF A VOLATILE ALCOHOL GLYCOSCIENCE, S.L. (ES) 2023-06-15 US claimed
EP-4103576-A1 3'-KETOGLYCOSIDE COMPOUND FOR THE SLOW RELEASE OF A VOLATILE ALCOHOL Glycoscience, S.L. (ES) 2022-12-21 EP claimed
CN-115427421-A 3' -ketoside compounds with slow release of volatile alcohols 格莱克科学有限公司 2022-12-02 CN claimed
CN-110144139-B Zinc oxide-based nanoparticle ink and photoelectric device 纳晶科技股份有限公司 2022-01-18 CN claimed
WO-1998047996-A1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO claimed
WO-1998007811-A2 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO claimed
WO-1998007405-A1 FRAGRANCE DELIVERY SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO claimed
US-5441988-A Repelling insects by exposing space to suitable quantity of 2,4-dimethyl-4-phenyl-1-butanol or alpha-terpinyl methyl ether INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1995-08-15 US claimed
EP-0369668-A2 Hydroxyl-and-cyano-substituted sulfur-containing compounds, compositions containing same, processes for preparing same and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1990-05-23 EP claimed
US-4906610-A Tetrahydro-5-isopropyl-2-methyl-2-thiophene acetonitrile, organoleptic uses thereof and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1990-03-06 US claimed
US-4650898-A PERFUMES, FOODS, CHEWING GUMS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1987-03-17 US claimed
US-4632831-A GRAFEFRUIT-LIKE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-12-30 US claimed
US-4610812-A Uses of methyl phenyl pentanol derivatives in augmenting or enhancing the aroma or taste of consumable materials INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-09-09 US claimed
US-4458699-A Uses of methyl phenyl pentanol derivatives in augmenting or enhancing the aroma or taste of smoking tobacco and smoking tobacco articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-07-10 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230183284-A1 3'-KETOGLYCOSIDE COMPOUND FOR THE SLOW RELEASE OF A VOLATILE ALCOHOL ADH1C, UGCG, ST6GAL1 TRPA1 1683/4885TAAR1 785/4885AOC3 1563/4885
US-20240147994-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH WASHC4, DERA, ADH1C TRPA1 355/4885TAAR1 2515/4885AOC3 26/4885
US-12509482-B2 3′-ketoglycoside compound for the slow release of a volatile alcohol EBP, MGAT1, MGAT3 TRPA1 1897/4885TAAR1 1687/4885AOC3 2751/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.